Free Download Computer Aided Drug Design Notes in pdf – Bpharm 8th Semester. High quality and Standard Notes.
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In this post you can download notes of Computer Aided Drug Design (BP807ET). All units are available to download for free.
Computer Aided Drug Design Notes Unit 1 – 5
UNIT – 1
Introduction to Drug Discovery and Development
Stages of drug discovery and development
Lead discovery and Analog Based Drug Design
Rational approaches to lead discovery based on traditional medicine, Random screening, Non-random screening, serendipitous drug discovery, lead discovery based on drug metabolism, lead discovery based on clinical observation.
Analog Based Drug Design:Bioisosterism, Classification, Bioisosteric replacement. Any three case
UNIT – 2
Quantitative Structure Activity Relationship (QSAR)
SAR versus QSAR, History and development of QSAR, Types of physicochemical parameters, experimental and theoretical approaches for the determination of physicochemical parameters such as Partition coefficient, Hammet’s substituent constant and Tafts steric constant. Hansch analysis, Free Wilson analysis, 3D-QSAR approaches like COMFA and COMSIA.
UNIT – 3
Molecular Modeling and virtual screening techniques
Virtual Screening techniques: Drug likeness screening, Concept of
pharmacophore mapping and pharmacophore based Screening, Molecular docking: Rigid docking, flexible docking, manual docking, Docking based screening. De novo drug design.
UNIT – 4
Informatics & Methods in drug design
Introduction to Bioinformatics, chemoinformatics. ADME databases, chemical, biochemical and pharmaceutical databases.
UNIT – 5
Molecular Modeling: Introduction to molecular mechanics and quantum mechanics.Energy Minimization methods and Conformational Analysis, global conformational minima determination.
Bpharm 8th Semester Notes
Biostatistics & Research Methodology
Pharmaceutical Regulatory Science
Quality Control & Standardization of Herbals
Pharmacological Screening Methods
Advanced Instrumentation Techniques
Dietary Supplements & Neutraceuticals
Scope of Computer Aided Drug Design
This subject is designed to provide detailed knowledge of rational drug design
process and various techniques used in rational drug design process.
Objectives of Computer Aided Drug Design
Upon completion of the course, the student shall be able to understand
1. Design and discovery of lead molecules 2. The role of drug design in drug discovery process 3. The concept of QSAR and docking
4. Various strategies to develop new drug like molecules. 5.The design of new drug molecules using molecular modeling software